2-chloro-6-(dibromomethyl)-4-(trifluoromethyl)pyridine

C7H3Br2ClF3N — CID 87869815

IUPAC2-chloro-6-(dibromomethyl)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)nc(C(Br)Br)c1
InChIInChI=1S/C7H3Br2ClF3N/c8-6(9)4-1-3(7(11,12)13)2-5(10)14-4/h1-2,6H
InChIKeyLYJWLGCUEVZJPJ-UHFFFAOYSA-N
MW353.36 g/mol
LogP4.54
Rot. Bonds1

About 2-chloro-6-(dibromomethyl)-4-(trifluoromethyl)pyridine

2-chloro-6-(dibromomethyl)-4-(trifluoromethyl)pyridine (PubChem CID 87869815) has the molecular formula C7H3Br2ClF3N and a molecular weight of 353.36 g/mol. Its IUPAC name is 2-chloro-6-(dibromomethyl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(dibromomethyl)-4-(trifluoromethyl)pyridine
PubChem CID87869815
Molecular FormulaC7H3Br2ClF3N
Molecular Weight353.36 g/mol
Exact Mass350.83
IUPAC Name2-chloro-6-(dibromomethyl)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)nc(C(Br)Br)c1
InChIInChI=1S/C7H3Br2ClF3N/c8-6(9)4-1-3(7(11,12)13)2-5(10)14-4/h1-2,6H
InChIKeyLYJWLGCUEVZJPJ-UHFFFAOYSA-N
XLogP4.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-6-(dibromomethyl)-4-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(dibromomethyl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-(dibromomethyl)-4-(trifluoromethyl)pyridine (CID 87869815) is 2-chloro-6-(dibromomethyl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-(dibromomethyl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-(dibromomethyl)-4-(trifluoromethyl)pyridine is FC(F)(F)c1cc(Cl)nc(C(Br)Br)c1.
What is the InChIKey of 2-chloro-6-(dibromomethyl)-4-(trifluoromethyl)pyridine?
The InChIKey is LYJWLGCUEVZJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2ClF3N/c8-6(9)4-1-3(7(11,12)13)2-5(10)14-4/h1-2,6H.
What are the key properties of 2-chloro-6-(dibromomethyl)-4-(trifluoromethyl)pyridine?
2-chloro-6-(dibromomethyl)-4-(trifluoromethyl)pyridine has a molecular weight of 353.36 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(dibromomethyl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 87869815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).